Vitas-M small molecule compound

3-(2-propoxybenzyl)-1,3-benzothiazol-2(3H)-one

Catalog ID
STK865985
SMILES CCCOc1ccccc1Cn1c(=O)sc2c1cccc2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C17H17NO2S MW 299.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO2S/c1-2-11-20-15-9-5-3-7-13(15)12-18-14-8-4-6-10-16(14)21-17(18)19/h3-10H,2,11-12H2,1H3
InChIKey
ATQVQCQELWKPPP-UHFFFAOYSA-N
Synonyms
853751-77-6
3((2PROPOXYPHENYL)METHYL)13BENZOTHIAZOL2ONE
3((2PROPOXYPHENYL)METHYL)3HYDROBENZOTHIAZOL2ONE
3(2propoxybenzyl)13benzothiazol2(3H)one
3(2PROPOXYBENZYL)BENZO(D)THIAZOL2(3H)ONE
853751776
CCCOC1=CC=CC=C1CN2C3=CC=CC=C3SC2=O
InChI=1SC17H17NO2Sc12112015953713(15)1218148461016(14)2117(18)19h310H21112H21H3
MFCD06490474
ZINC000004318181
ZINC04318181
ZINC4318181

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.